(furan-3-ylmethyl)(2-methylpropyl)[(3-methylthiophen-2-yl)methyl]amine

• ChemBase ID: 414881
• Molecular Formular: C15H21NOS
• Molecular Mass: 263.39834
• Monoisotopic Mass: 263.1343853
• SMILES: c1(c(ccs1)C)CN(Cc1cocc1)CC(C)C
• Canonical SMILES: CC(CN(Cc1sccc1C)Cc1ccoc1)C
• InChI: InChI=1S/C15H21NOS/c1-12(2)8-16(9-14-4-6-17-11-14)10-15-13(3)5-7-18-15/h4-7,11-12H,8-10H2,1-3H3
• InChIKey: PZPJEHVNZOINFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-3-ylmethyl)(2-methylpropyl)[(3-methylthiophen-2-yl)methyl]amine
• IUPAC Traditional name: (furan-3-ylmethyl)(2-methylpropyl)[(3-methylthiophen-2-yl)methyl]amine
• Synonyms: (3-furylmethyl)isobutyl[(3-methyl-2-thienyl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.207615
• LogD (pH = 7.4): 2.758209
• Log P: 4.4499674
• Molar Refractivity: 77.402 cm^3
• Polarizability: 29.764128 Å^3
• Polar Surface Area: 16.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.47
• LOG S: -3.93
• Polar Surface Area: 16.38 Å^2
• Rotatable Bonds: 6